4G6S

Minimal Hairpin Ribozyme in the Transition State with A38P Variation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97885
Spacegroup name	P 61 2 2
Unit cell lengths	93.966, 93.966, 134.171
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.097 - 2.840
R-factor	0.1881
Rwork	0.186
R-free	0.22240
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.966
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.940
High resolution limit [Å]	2.840	6.120	2.840
Rmerge	0.052	0.034	0.705
Number of reflections	8742
<I/σ(I)>	16
Completeness [%]	98.7	94.6	94.7
Redundancy	6.9	6.2	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	22% (w/v) PEG 2000 MME, 0.1M HEPES pH=7.0, 0.25 M Lithium Sulfate, 1mM Cobalt Hexamine, 2mM spermadine, vapor diffusion, Hanging Drop, temperature 295K